oct-7-enyl-(oxiran-2-ylmethyl)-dipropylazanium

C17H34NO+ — CID 101275022

IUPACoct-7-enyl-(oxiran-2-ylmethyl)-dipropylazanium
SMILESC=CCCCCCC[N+](CCC)(CCC)CC1CO1
InChIInChI=1S/C17H34NO/c1-4-7-8-9-10-11-14-18(12-5-2,13-6-3)15-17-16-19-17/h4,17H,1,5-16H2,2-3H3/q+1
InChIKeyAPSGDJLUNPZBQV-UHFFFAOYSA-N
MW268.46 g/mol
LogP4.16
Rot. Bonds13

About oct-7-enyl-(oxiran-2-ylmethyl)-dipropylazanium

oct-7-enyl-(oxiran-2-ylmethyl)-dipropylazanium (PubChem CID 101275022) has the molecular formula C17H34NO+ and a molecular weight of 268.46 g/mol. Its IUPAC name is oct-7-enyl-(oxiran-2-ylmethyl)-dipropylazanium.

Molecular Properties

Compound Nameoct-7-enyl-(oxiran-2-ylmethyl)-dipropylazanium
PubChem CID101275022
Molecular FormulaC17H34NO+
Molecular Weight268.46 g/mol
Exact Mass268.26
IUPAC Nameoct-7-enyl-(oxiran-2-ylmethyl)-dipropylazanium
SMILESC=CCCCCCC[N+](CCC)(CCC)CC1CO1
InChIInChI=1S/C17H34NO/c1-4-7-8-9-10-11-14-18(12-5-2,13-6-3)15-17-16-19-17/h4,17H,1,5-16H2,2-3H3/q+1
InChIKeyAPSGDJLUNPZBQV-UHFFFAOYSA-N
XLogP4.16
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.46
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

dibutyl-oct-7-enyl-(oxiran-2-ylmethyl)azanium
CID 101275029
dodecyl-ethyl-(oxiran-2-ylmethyl)-tetradecylazanium
CID 174335727
dibutyl-[(E)-oct-2-enyl]-(oxiran-2-ylmethyl)azanium
CID 101275024
2-non-8-enyloxirane
CID 86075301
2-oct-7-enyloxirane
CID 160591597
diethyl-[(E)-non-2-enyl]-(oxiran-2-ylmethyl)azanium
CID 101275039
dodecyl-hex-5-enyl-dimethylazanium
CID 14625828
dimethyl-(oxiran-2-ylmethyl)-prop-2-enylazanium
CID 87381029
bismuthane;oct-1-ene;sulfane
CID 174601016
methyl-dioctadecyl-(oxiran-2-ylmethyl)azanium chloride
CID 57483147
dodecyl-methyl-(oxiran-2-ylmethyl)-tetradecylazanium chloride
CID 174322238
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706

Frequently Asked Questions

What is the IUPAC name of oct-7-enyl-(oxiran-2-ylmethyl)-dipropylazanium?
The IUPAC name of oct-7-enyl-(oxiran-2-ylmethyl)-dipropylazanium (CID 101275022) is oct-7-enyl-(oxiran-2-ylmethyl)-dipropylazanium.
What is the SMILES notation for oct-7-enyl-(oxiran-2-ylmethyl)-dipropylazanium?
The canonical SMILES for oct-7-enyl-(oxiran-2-ylmethyl)-dipropylazanium is C=CCCCCCC[N+](CCC)(CCC)CC1CO1.
What is the InChIKey of oct-7-enyl-(oxiran-2-ylmethyl)-dipropylazanium?
The InChIKey is APSGDJLUNPZBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34NO/c1-4-7-8-9-10-11-14-18(12-5-2,13-6-3)15-17-16-19-17/h4,17H,1,5-16H2,2-3H3/q+1.
What are the key properties of oct-7-enyl-(oxiran-2-ylmethyl)-dipropylazanium?
oct-7-enyl-(oxiran-2-ylmethyl)-dipropylazanium has a molecular weight of 268.46 g/mol, XLogP of 4.16, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oct-7-enyl-(oxiran-2-ylmethyl)-dipropylazanium is sourced from PubChem (CID 101275022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).